4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium

C13H23N4O3+ — CID 22590391

IUPAC4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium
SMILESCOc1nc(OC)nc([N+]2(CC(C)C)CCOCC2)n1
InChIInChI=1S/C13H23N4O3/c1-10(2)9-17(5-7-20-8-6-17)11-14-12(18-3)16-13(15-11)19-4/h10H,5-9H2,1-4H3/q+1
InChIKeyIRTYOLYHLMRNNM-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.88
Rot. Bonds5

About 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium

4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium (PubChem CID 22590391) has the molecular formula C13H23N4O3+ and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium.

Molecular Properties

Compound Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium
PubChem CID22590391
Molecular FormulaC13H23N4O3+
Molecular Weight283.35 g/mol
Exact Mass283.18
IUPAC Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium
SMILESCOc1nc(OC)nc([N+]2(CC(C)C)CCOCC2)n1
InChIInChI=1S/C13H23N4O3/c1-10(2)9-17(5-7-20-8-6-17)11-14-12(18-3)16-13(15-11)19-4/h10H,5-9H2,1-4H3/q+1
InChIKeyIRTYOLYHLMRNNM-UHFFFAOYSA-N
XLogP0.88
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium?
The IUPAC name of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium (CID 22590391) is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium.
What is the SMILES notation for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium?
The canonical SMILES for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium is COc1nc(OC)nc([N+]2(CC(C)C)CCOCC2)n1.
What is the InChIKey of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium?
The InChIKey is IRTYOLYHLMRNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N4O3/c1-10(2)9-17(5-7-20-8-6-17)11-14-12(18-3)16-13(15-11)19-4/h10H,5-9H2,1-4H3/q+1.
What are the key properties of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium?
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium has a molecular weight of 283.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium is sourced from PubChem (CID 22590391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).